SCHEMBL7273469

SCHEMBL7273469

CC1CC(=O)NN=C1c1ccc(NCCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
GALR3 O60755 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
THRB P10828 2/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
PDE3B Q13370 12/20 0.51
PDE3A Q14432 12/20 0.51
LMNA P02545 2/20 0.51
SLFN12 Q8IYM2 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GPR119 Q8TDV5 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7266967 0.95 GALR3 (0.73) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL10475489 0.85 MAPT (0.74) MAPTGALR3SMN1; SMN2THRBALDH1A1
Iodide SCHEMBL10474006 0.84 MAPT (0.71) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7266906 0.83 GALR3 (0.79) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7273931 0.83 GALR3 (0.79) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL16157214 0.83 MAPT (1.00) MAPTGALR3SMN1; SMN2THRBALDH1A1
Iodide SCHEMBL10475201 0.82 GALR3 (0.71) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7266840 0.82 SMN1; SMN2 (0.52) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7267555 0.81 GALR3 (0.81) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7321514 0.80 GALR3 (0.77) MAPTGALR3SMN1; SMN2THRBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327800-B1 6-PHENYLDIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS HEUMANN PHARMA GMBH & CO (DE) 1992-05-27 EP disclosed
US-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 US disclosed
EP-0327800-A2 6-Phenyldihydro-3(2H)-pyridazinones, process for their preparation and medicines containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-08-16 EP disclosed